>I have the same problem like Miguel, trying to make some "nice-looking"
>graphic presentations from GSAS results.
>In GSAS there is a nicely routine, called "HSTDMP" which transfers all plot
>data in an ASCII file format. Next step could be if someone can make a
>simple converting code, that can order these data in a standard XY format.
>Thus, a common Windows graphic routines, such as Sigma Plot, Origin, MS
>Excel etc. can be used for a nice plots.
>With such converting routine, the data from that GSAS ASCII file may be easy
>imported into a five columns spread sheet:
> 1 column: X-data (2-theta values)
> 2 column: Peaks positions (marked in 2-theta, and plotted as tasks
>under
>the patterns)
> 3 column: Y obs
> 4 column: Y cal
> 5 column: Difference
>I think, if someone can make this conversion routine, it would be highly
>appreciate from many Rietveld users. Whoever this person will be, thanks in
>advance,
Sorry - I don't use GSAS. So I don't know the file format that is produced
by GSAS. Did you try to get along with Excel to recalculate the X-data?
i.e. the usual short way to store X,Y data ist to tell about Start, End and
Stepwidth in X and then add listing(s) of the Y-data sequentially.
Why should not you be the one to write the code? This is probably a 1-hours
job with a BASIC Interpreter which you will find on nearly every PC. No
need to have a super-dooper graphic-user-interface-possessing Windows
program. A simple DOS-exe will do the job. Try Quick-Basic, it's easy &
fine for these things.
By the way ... Origin has a very powerful ASCII import function, so it will
not be necessary to choose a certain output format from the routine. Any
data-separator (except your decimal-sign, of course) will do (even a blank).
Good luck
Carsten
Carsten Schinzer ---------------------------------------
Institut de Chimie de la Matiere Condensee de Bordeaux
87, Avenue du Docteur A. Schweitzer
F-33608 PESSAC
fon +33 556 84 2650 (poste 7397) fax +33 556 84 2640
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